(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile

C7H8N2O — CID 164668832

IUPAC(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile
SMILESC/C(C#N)=C/C(C)(O)C#N
InChIInChI=1S/C7H8N2O/c1-6(4-8)3-7(2,10)5-9/h3,10H,1-2H3/b6-3-
InChIKeyBNYRTUGSVANYTH-UTCJRWHESA-N
MW136.15 g/mol
LogP0.73
Rot. Bonds1

About (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile

(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile (PubChem CID 164668832) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile.

Molecular Properties

Compound Name(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile
PubChem CID164668832
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile
SMILESC/C(C#N)=C/C(C)(O)C#N
InChIInChI=1S/C7H8N2O/c1-6(4-8)3-7(2,10)5-9/h3,10H,1-2H3/b6-3-
InChIKeyBNYRTUGSVANYTH-UTCJRWHESA-N
XLogP0.73
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-4-methyl-2-pentenenitrile
CID 73186853
(E)-4-hydroxy-4-methylpent-2-enenitrile
CID 13733434
(2E)-2-(1-Hydroxy-1-methylethyl)-2-butenedinitrile
CID 131862954
(E)-2-hydroxy-2-methylhept-3-enenitrile
CID 134963677
(Z)-2,4-dicyanopent-3-en-2-olate
CID 164668831
(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
CID 101397632
ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
CID 143198232
(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
CID 149153632
(2E,3Z)-2-ethylidene-5-hydroxy-4-methylhexa-3,5-dienenitrile
CID 163549031
(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
CID 10772945
(E)-2-(2-hydroxypropan-2-yl)but-2-enenitrile
CID 14222396
2-Hydroxy-2,4-dimethylpent-3-enenitrile
CID 66180051

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile?
The IUPAC name of (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile (CID 164668832) is (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile.
What is the SMILES notation for (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile?
The canonical SMILES for (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile is C/C(C#N)=C/C(C)(O)C#N.
What is the InChIKey of (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile?
The InChIKey is BNYRTUGSVANYTH-UTCJRWHESA-N. The full InChI is InChI=1S/C7H8N2O/c1-6(4-8)3-7(2,10)5-9/h3,10H,1-2H3/b6-3-.
What are the key properties of (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile?
(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile has a molecular weight of 136.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile is sourced from PubChem (CID 164668832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).